CID 9554217

Brn 0403371

Structural Information

Molecular Formula
C13H17N3O
SMILES
CC1=CC(=CC=C1)NC(=O)/N=C/2\CCCN2C
InChI
InChI=1S/C13H17N3O/c1-10-5-3-6-11(9-10)14-13(17)15-12-7-4-8-16(12)2/h3,5-6,9H,4,7-8H2,1-2H3,(H,14,17)/b15-12+
InChIKey
KPPUYCQSSNJGRN-NTCAYCPXSA-N
Compound name
(3E)-1-(3-methylphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

231.13716 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.14444 154.9
[M+Na]+ 254.12638 164.9
[M+NH4]+ 249.17098 162.5
[M+K]+ 270.10032 160.4
[M-H]- 230.12988 158.7
[M+Na-2H]- 252.11183 161.1
[M]+ 231.13661 157.0
[M]- 231.13771 157.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.